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{
"id": "mp-976843",
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{
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{
"id": "mp-559349",
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"structure_string": "Sb8 Cl4 F68\n1.0\n8.579119 0.000000 0.000000\n0.000000 12.026016 0.000000\n0.000000 10.360812 12.174800\nSb Cl F\n8 4 68\ndirect\n0.524530 0.535449 0.155494 Sb\n0.975470 0.535449 0.655494 Sb\n0.475470 0.464551 0.844506 Sb\n0.024530 0.464551 0.344506 Sb\n0.508387 0.919726 0.855720 Sb\n0.991613 0.919726 0.355720 Sb\n0.491613 0.080274 0.144280 Sb\n0.008387 0.080274 0.644280 Sb\n0.500000 0.500000 0.500000 Cl\n0.000000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.301232 0.934355 0.890523 F\n0.198768 0.934355 0.390523 F\n0.698768 0.065645 0.109477 F\n0.801232 0.065645 0.609477 F\n0.532279 0.120567 0.731651 F\n0.967721 0.120567 0.231651 F\n0.467721 0.879433 0.268349 F\n0.032279 0.879433 0.768349 F\n0.479250 0.698552 0.989419 F\n0.020750 0.698552 0.489419 F\n0.520750 0.301448 0.010581 F\n0.979250 0.301448 0.510581 F\n0.712168 0.862019 0.848589 F\n0.787832 0.862019 0.348589 F\n0.287832 0.137981 0.151411 F\n0.212168 0.137981 0.651411 F\n0.430119 0.872650 0.770888 F\n0.069881 0.872650 0.270888 F\n0.569881 0.127350 0.229112 F\n0.930119 0.127350 0.729112 F\n0.558970 0.385296 0.308557 F\n0.941030 0.385296 0.808557 F\n0.441030 0.614704 0.691443 F\n0.058970 0.614704 0.191443 F\n0.587273 0.939820 0.956527 F\n0.912727 0.939820 0.456527 F\n0.412727 0.060180 0.043473 F\n0.087273 0.060180 0.543473 F\n0.637357 0.618568 0.453818 F\n0.862643 0.618568 0.953818 F\n0.362643 0.381432 0.546182 F\n0.137357 0.381432 0.046182 F\n0.529841 0.440814 0.622694 F\n0.970159 0.440814 0.122694 F\n0.470159 0.559186 0.377306 F\n0.029841 0.559186 0.877306 F\n0.624101 0.383215 0.521345 F\n0.875899 0.383215 0.021345 F\n0.375899 0.616785 0.478655 F\n0.124101 0.616785 0.978655 F\n0.518198 0.906001 0.461562 F\n0.981802 0.906001 0.961562 F\n0.481802 0.093999 0.538438 F\n0.018198 0.093999 0.038438 F\n0.609019 0.885315 0.604167 F\n0.890981 0.885315 0.104167 F\n0.390981 0.114685 0.395833 F\n0.109019 0.114685 0.895833 F\n0.650710 0.093551 0.429484 F\n0.849290 0.093551 0.929484 F\n0.349290 0.906449 0.570516 F\n0.150710 0.906449 0.070516 F\n0.714400 0.636154 0.128345 F\n0.785600 0.636154 0.628345 F\n0.285600 0.363846 0.871655 F\n0.214400 0.363846 0.371655 F\n0.331930 0.456177 0.156034 F\n0.168070 0.456177 0.656034 F\n0.668070 0.543823 0.843966 F\n0.831930 0.543823 0.343966 F\n0.417777 0.657189 0.174376 F\n0.082223 0.657189 0.674376 F\n0.582223 0.342811 0.825624 F\n0.917777 0.342811 0.325624 F\n0.627435 0.437772 0.113838 F\n0.872565 0.437772 0.613838 F\n0.372565 0.562228 0.886162 F\n0.127435 0.562228 0.386162 F\n",
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"density_atomic": 0.06368889033251626,
"volume": 1256.1060427073594,
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"formula_full": "Sb8 Cl4 F68",
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{
"id": "mp-757038",
"created_at": "2022-09-04T14:48:19.816863Z",
"structure_string": "Li4 Si4 Bi4 O16\n1.0\n5.249698 0.000000 0.000000\n0.000000 7.851193 0.000000\n0.000000 0.000000 8.657022\nLi Si Bi O\n4 4 4 16\ndirect\n0.974681 0.779183 0.081539 Li\n0.974681 0.279183 0.418461 Li\n0.474681 0.720817 0.581539 Li\n0.474681 0.220817 0.918461 Li\n0.986347 0.236515 0.079217 Si\n0.986347 0.736515 0.420783 Si\n0.486347 0.263485 0.579217 Si\n0.486347 0.763485 0.920783 Si\n0.452729 0.475380 0.271397 Bi\n0.452729 0.975380 0.228603 Bi\n0.952729 0.024620 0.771397 Bi\n0.952729 0.524620 0.728603 Bi\n0.345751 0.731464 0.091333 O\n0.259128 0.343311 0.080749 O\n0.071736 0.032834 0.081763 O\n0.792967 0.280380 0.221051 O\n0.792967 0.780380 0.278949 O\n0.071736 0.532834 0.418237 O\n0.259128 0.843311 0.419251 O\n0.345751 0.231464 0.408667 O\n0.845751 0.768536 0.591333 O\n0.759128 0.156689 0.580749 O\n0.571736 0.467166 0.581763 O\n0.292967 0.219620 0.721051 O\n0.292967 0.719620 0.778949 O\n0.571736 0.967166 0.918237 O\n0.759128 0.656689 0.919251 O\n0.845751 0.268536 0.908667 O\n",
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"elements": [
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"formula_full": "Li4 Si4 Bi4 O16",
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{
"id": "mp-1202708",
"created_at": "2022-09-04T14:48:19.764302Z",
"structure_string": "Yb8 Ni2 B26\n1.0\n7.367052 0.000000 0.000000\n0.000000 7.367052 0.000000\n0.000000 0.000000 6.753402\nYb Ni B\n8 2 26\ndirect\n0.680352 0.189365 0.500000 Yb\n0.319648 0.810635 0.500000 Yb\n0.180352 0.310635 0.000000 Yb\n0.819648 0.689365 0.000000 Yb\n0.810635 0.680352 0.500000 Yb\n0.189365 0.319648 0.500000 Yb\n0.689365 0.180352 0.000000 Yb\n0.310635 0.819648 0.000000 Yb\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.908359 0.408359 0.250000 B\n0.091641 0.591641 0.250000 B\n0.408359 0.091641 0.750000 B\n0.591641 0.908359 0.750000 B\n0.591641 0.908359 0.250000 B\n0.408359 0.091641 0.250000 B\n0.908359 0.408359 0.750000 B\n0.091641 0.591641 0.750000 B\n0.538285 0.667890 0.234944 B\n0.461715 0.332110 0.234944 B\n0.038285 0.832110 0.734944 B\n0.961715 0.167890 0.734944 B\n0.332110 0.538285 0.234944 B\n0.667890 0.461715 0.234944 B\n0.167890 0.038285 0.734944 B\n0.832110 0.961715 0.734944 B\n0.461715 0.332110 0.765056 B\n0.538285 0.667890 0.765056 B\n0.961715 0.167890 0.265056 B\n0.038285 0.832110 0.265056 B\n0.667890 0.461715 0.765056 B\n0.332110 0.538285 0.765056 B\n0.832110 0.961715 0.265056 B\n0.167890 0.038285 0.265056 B\n",
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{
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"structure_string": "Tm1 Lu1 In2\n1.0\n0.000000 3.715166 3.715166\n3.715166 0.000000 3.715166\n3.715166 3.715166 0.000000\nTm Lu In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
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{
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"structure_string": "Li1 Nb1 Sn3 P6 O24\n1.0\n7.858792 -4.386222 0.000000\n7.858792 4.386222 0.000000\n5.410714 0.000000 7.191921\nLi Nb Sn P O\n1 1 3 6 24\ndirect\n0.006712 0.006712 0.006712 Li\n0.855689 0.855689 0.855689 Nb\n0.146194 0.146194 0.146194 Sn\n0.358533 0.358533 0.358533 Sn\n0.643145 0.643145 0.643145 Sn\n0.037914 0.454614 0.752239 P\n0.454614 0.752239 0.037914 P\n0.752239 0.037914 0.454614 P\n0.251628 0.962106 0.540050 P\n0.540050 0.251628 0.962106 P\n0.962106 0.540050 0.251628 P\n0.132191 0.518054 0.272104 O\n0.272104 0.132191 0.518054 O\n0.061316 0.271103 0.920747 O\n0.518054 0.272104 0.132191 O\n0.215686 0.445173 0.581925 O\n0.995163 0.621226 0.798891 O\n0.271103 0.920747 0.061316 O\n0.445173 0.581925 0.215686 O\n0.581925 0.215686 0.445173 O\n0.213897 0.988211 0.378605 O\n0.078764 0.933519 0.722893 O\n0.378605 0.213897 0.988211 O\n0.621226 0.798891 0.995163 O\n0.920747 0.061316 0.271103 O\n0.798891 0.995163 0.621226 O\n0.417046 0.783685 0.565172 O\n0.565172 0.417046 0.783685 O\n0.722893 0.078764 0.933519 O\n0.988211 0.378605 0.213897 O\n0.783685 0.565172 0.417046 O\n0.481943 0.721680 0.872184 O\n0.933519 0.722893 0.078764 O\n0.721680 0.872184 0.481943 O\n0.872184 0.481943 0.721680 O\n",
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{
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{
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"structure_string": "Sc2 Al6 C6\n1.0\n1.682130 -2.913535 0.000000\n1.682130 2.913535 0.000000\n0.000000 0.000000 16.785589\nSc Al C\n2 6 6\ndirect\n0.000000 0.000000 0.001139 Sc\n0.000000 0.000000 0.501139 Sc\n0.333333 0.666667 0.371786 Al\n0.666667 0.333333 0.629979 Al\n0.666667 0.333333 0.871786 Al\n0.333333 0.666667 0.756681 Al\n0.333333 0.666667 0.129979 Al\n0.666667 0.333333 0.256681 Al\n0.333333 0.666667 0.250109 C\n0.666667 0.333333 0.750109 C\n0.666667 0.333333 0.410440 C\n0.333333 0.666667 0.910440 C\n0.666667 0.333333 0.083866 C\n0.333333 0.666667 0.583866 C\n",
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{
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"structure_string": "Ba4 Zn4 Cl16\n1.0\n6.593737 0.000000 0.000000\n0.000000 6.942367 0.000000\n0.000000 0.000000 15.597305\nBa Zn Cl\n4 4 16\ndirect\n0.500000 0.750000 0.629079 Ba\n0.000000 0.250000 0.870921 Ba\n0.500000 0.250000 0.370921 Ba\n0.000000 0.750000 0.129079 Ba\n0.000000 0.750000 0.390565 Zn\n0.500000 0.250000 0.109435 Zn\n0.000000 0.250000 0.609435 Zn\n0.500000 0.750000 0.890565 Zn\n0.853809 0.473644 0.700128 Cl\n0.353809 0.526356 0.799872 Cl\n0.646191 0.973644 0.799872 Cl\n0.146191 0.026356 0.700128 Cl\n0.146191 0.526356 0.299872 Cl\n0.646191 0.473644 0.200128 Cl\n0.353809 0.026356 0.200128 Cl\n0.853809 0.973644 0.299872 Cl\n0.754132 0.592931 0.962389 Cl\n0.254132 0.407069 0.537611 Cl\n0.745868 0.092931 0.537611 Cl\n0.245868 0.907069 0.962389 Cl\n0.245868 0.407069 0.037611 Cl\n0.745868 0.592931 0.462389 Cl\n0.254132 0.907069 0.462389 Cl\n0.754132 0.092931 0.037611 Cl\n",
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],
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"updated_at": "2021-11-28T01:38:53.272000Z",
"spacegroup": 60
},
{
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"elements": [
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"chemical_system": "O-Sc-Sm",
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"formula_full": "Sm4 Sc4 O12",
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"updated_at": "2021-11-28T01:39:06.831000Z",
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},
{
"id": "mp-558754",
"created_at": "2022-09-04T14:48:23.008398Z",
"structure_string": "Sb8 Os2 C12 O12 F44\n1.0\n12.779462 0.000000 0.000000\n0.000000 9.979864 0.000000\n0.000000 6.153963 10.059697\nSb Os C O F\n8 2 12 12 44\ndirect\n0.369004 0.241708 0.773761 Sb\n0.630996 0.758292 0.226239 Sb\n0.299936 0.600401 0.996667 Sb\n0.200064 0.600401 0.496667 Sb\n0.869004 0.758292 0.726239 Sb\n0.130996 0.241708 0.273761 Sb\n0.700064 0.399599 0.003333 Sb\n0.799936 0.399599 0.503333 Sb\n0.000000 0.000000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.553475 0.969649 0.673085 C\n0.646937 0.049775 0.426274 C\n0.476943 0.230864 0.426476 C\n0.946525 0.969649 0.173085 C\n0.523057 0.769136 0.573524 C\n0.053475 0.030351 0.826915 C\n0.023057 0.230864 0.926476 C\n0.353063 0.950225 0.573726 C\n0.976943 0.769136 0.073524 C\n0.853063 0.049775 0.926274 C\n0.446525 0.030351 0.326915 C\n0.146937 0.950225 0.073726 C\n0.583477 0.951284 0.770961 O\n0.729204 0.081559 0.383675 O\n0.083477 0.048716 0.729039 O\n0.533591 0.637840 0.617997 O\n0.416523 0.048716 0.229039 O\n0.916523 0.951284 0.270961 O\n0.229204 0.918441 0.116325 O\n0.033591 0.362160 0.882003 O\n0.466409 0.362160 0.382003 O\n0.770796 0.081559 0.883675 O\n0.966409 0.637840 0.117997 O\n0.270796 0.918441 0.616325 O\n0.265582 0.534996 0.389697 F\n0.496200 0.298025 0.675764 F\n0.588325 0.667436 0.127898 F\n0.319006 0.178162 0.655514 F\n0.183858 0.464483 0.136882 F\n0.003800 0.298025 0.175764 F\n0.730465 0.793562 0.652404 F\n0.411291 0.034749 0.901945 F\n0.180994 0.178162 0.155514 F\n0.384802 0.417576 0.080306 F\n0.802463 0.235668 0.059172 F\n0.269535 0.206438 0.347596 F\n0.680994 0.821838 0.344486 F\n0.683858 0.535517 0.363118 F\n0.088709 0.034749 0.401945 F\n0.911291 0.965251 0.598055 F\n0.152635 0.652458 0.620833 F\n0.503800 0.701975 0.324236 F\n0.316142 0.464483 0.636882 F\n0.197537 0.764332 0.940828 F\n0.103397 0.731288 0.359666 F\n0.302463 0.764332 0.440828 F\n0.765582 0.465004 0.110303 F\n0.603397 0.268712 0.140334 F\n0.615198 0.582424 0.919694 F\n0.911675 0.667436 0.627898 F\n0.847365 0.347542 0.379167 F\n0.996200 0.701975 0.824236 F\n0.734418 0.465004 0.610303 F\n0.884802 0.582424 0.419694 F\n0.115198 0.417576 0.580306 F\n0.896603 0.268712 0.640334 F\n0.697537 0.235668 0.559172 F\n0.816142 0.535517 0.863118 F\n0.088325 0.332564 0.372102 F\n0.234418 0.534996 0.889697 F\n0.769535 0.793562 0.152404 F\n0.230465 0.206438 0.847596 F\n0.652635 0.347542 0.879167 F\n0.588709 0.965251 0.098055 F\n0.819006 0.821838 0.844486 F\n0.347365 0.652458 0.120833 F\n0.411675 0.332564 0.872102 F\n0.396603 0.731288 0.859666 F\n",
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"volume": 1282.9865212971658,
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"formula_full": "Sb8 Os2 C12 O12 F44",
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"updated_at": "2021-11-28T01:39:43.752000Z",
"spacegroup": 14
}
]
}